SCHEMBL74604

SCHEMBL74604

CC(C)(C)N(Cc1nccs1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
FDPS P14324 1/20 0.37
NR1H3 Q13133 1/20 0.36
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
HTR7 P34969 1/20 0.34
SLC6A3 Q01959 2/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
PKM P14618 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FBP1 P09467 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
CLK3 P49761 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13764518 0.84 TRPM8 (0.38) TRPM8FDPSNR1H3CHRM2CHRM1
SCHEMBL12094534 0.78 FDPS (0.37) TRPM8FDPSNR1H3HTR7SLC6A3
SCHEMBL933218 0.77
SCHEMBL16213762 0.77 HTR7 (0.41) TRPM8FDPSNR1H3HTR7SLC6A3
SCHEMBL13768566 0.73 TRPM8 (0.46) TRPM8FDPSNR1H3HTR7SLC6A3
SCHEMBL2093644 0.73 FDPS (0.42) TRPM8FDPSCHRM2CHRM1CHRM3
SCHEMBL19440349 0.73
SCHEMBL17604504 0.73 TRPM8 (0.46) TRPM8FDPSNR1H3HTR7SLC6A3
SCHEMBL13377429 0.73 TRPM8 (0.40) TRPM8FDPSSLC6A3ALDH1A1TSHR
SCHEMBL13548386 0.72 CYP2C19 (0.44) FDPSSLC6A3ALDH1A1TSHRPKM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 TRPM8 123/4885FDPS 1553/4885NR1H3 1158/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 TRPM8 136/4885FDPS 1263/4885NR1H3 1055/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 TRPM8 136/4885FDPS 1263/4885NR1H3 1055/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 TRPM8 136/4885FDPS 1263/4885NR1H3 1055/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 TRPM8 123/4885FDPS 1553/4885NR1H3 1158/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 TRPM8 136/4885FDPS 1263/4885NR1H3 1055/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 TRPM8 122/4885FDPS 1537/4885NR1H3 1185/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 TRPM8 136/4885FDPS 1263/4885NR1H3 1055/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.